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Compound Detail

CHEMBL2011867

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O=C1Nc2ccc(Cl)cc2C1(c1c(-c2ccccc2)[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011867
Phase Preclinical
Structure Type MOL
InChI Key OLRKHLZJTVGDKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

550.1
MW (Da)
8.92
ALogP
1
HBA
3
HBD
60.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H24ClN3O
MW 550.06
Aromatic Rings 7
Heavy Atoms 41
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
22386528 10.1016/j.bmcl.2012.02.011 MDA-MB-231 1
22386528 10.1016/j.bmcl.2012.02.011 SK-N-SH 1
22386528 10.1016/j.bmcl.2012.02.011 A549 1
22386528 10.1016/j.bmcl.2012.02.011 MRC5 1

Data from ChEMBL 36 via Core Engine